N-cyclopropyl-N'-[(Z)-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide
Formula:C18H22N4O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
N-cyclopropyl-N'-[(Z)-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide is a drug-like molecule.
| MolName | N-cyclopropyl-N'-[(Z)-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide |
| MolecularFormula | C18H22N4O4 |
| Smiles | O=C(COc1c(/C=N\NC(C(NC2CC2)=O)=O)cccc1)N1CCCC1 |
| InChI | InChI=1S/C18H22N4O4/c23-16(22-9-3-4-10-22)12-26-15-6-2-1-5-13(15)11-19-21-18(25)17(24)20-14-7-8-14/h1-2,5-6,11,14H,3-4,7-10,12H2,(H,20,24)(H,21,25) |
| InChIK | CQRSNUOIYBYHLJ-UHFFFAOYSA-N |
| TotalMolweight | 358.397 |
| Molweight | 358.397 |
| MonoisotopicMass | 358.164106 |
| CLogP | 1.0361 |
| CLogS | -2.891 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 276.31 |
| Relative PSA | 0.31523 |
| PolarSurfaceArea | 100.1 |
| Druglikeness | 6.5163 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 9 |
| Symmetricatoms | 3 |
| Amides | 2 |
| StereoCon |
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1 - N-cyclopropyl-N'-[(Z)-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide | 2 - N-cyclopropyl-N'-[(Z)-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide
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